CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; [Alfa Aesar MSDS] |
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Solubility | insoluble in water |
Density | 0.826-0.832 |
Refractive Index | 1.435-1.439 |
Kovats Retention Index | 1189 |
Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
Signal word | Warning |
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GHS Hazard Statements |
H320:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. |
COMPUTED DESCRIPTORS
Molecular Weight | 158.28 g/mol |
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XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 7 |
Exact Mass | 158.167065321 g/mol |
Monoisotopic Mass | 158.167065321 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 71.3 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, an animal metabolite and a flavouring agent. It is a decanol and a secondary alcohol.